SCHEMBL6173429

SCHEMBL6173429

Cc1cnccc1C(C)C1(C(C)c2ccncc2C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AR P10275 2/20 0.36
NPBWR1 P48145 2/20 0.34
MCHR1 Q99705 2/20 0.34
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
PDE7A Q13946 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
LIPE Q05469 3/20 0.33
KDM4C Q9H3R0 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6173690 0.88 CYP3A4 (0.41) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6175704 0.86 POLB (0.36) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6173283 0.86 CYP3A4 (0.38) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL2941010 0.86 CYP3A4 (0.36) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6172522 0.86 CYP3A4 (0.40) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6173440 0.86 CYP3A4 (0.38) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6175486 0.85 CYP3A4 (0.40) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6174812 0.85 ALDH1A1 (0.38) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6174774 0.85 SLC5A1 (0.40) POLBL3MBTL1CYP2C9CYP2C19CYP3A4
SCHEMBL6170901 0.85 CYP3A4 (0.35) POLBL3MBTL1CYP2C9CYP2C19CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP claimed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO claimed
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed